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2,2-Dimethyl-4-(1,2,4-triazolyl)-8-phenoxy-trans-6-octen-3-one

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2,2-Dimethyl-4-(1,2,4-triazolyl)-8-phenoxy-trans-6-octen-3-one
SpectraBase Compound ID HDvDARWcXl9
InChI InChI=1S/C18H23N3O2/c1-18(2,3)17(22)16(21-14-19-13-20-21)11-7-8-12-23-15-9-5-4-6-10-15/h4-10,13-14,16H,11-12H2,1-3H3/b8-7+
InChIKey JKJDLUNAEAHUFR-BQYQJAHWSA-N
Mol Weight 313.4 g/mol
Molecular Formula C18H23N3O2
Exact Mass 313.179027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FHlsZ6AYzKf
Name 2,2-Dimethyl-4-(1,2,4-triazolyl)-8-phenoxy-trans-6-octen-3-one
CAS Registry Number 100307-47-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H23N3O2
InChI InChI=1S/C18H23N3O2/c1-18(2,3)17(22)16(21-14-19-13-20-21)11-7-8-12-23-15-9-5-4-6-10-15/h4-10,13-14,16H,11-12H2,1-3H3/b8-7+
InChIKey JKJDLUNAEAHUFR-BQYQJAHWSA-N
Instrument Name Bruker WM-360
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3